3-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C22H22N4O5/c1-3-25(4-2)20(28)14-8-7-9-15(12-14)23-18(27)13-26-21(29)17-11-6-5-10-16(17)19(24-26)22(30)31/h5-12H,3-4,13H2,1-2H3,(H,23,27)(H,30,31)